1-chloroethyl 4-bromanyl-2,7-dimethoxy-3-oxidanyl-phenothiazine-10-carboxylate

Systemtic Name: 1-chloroethyl 4-bromanyl-2,7-dimethoxy-3-oxidanyl-phenothiazine-10-carboxylate Openeye Name: 1-chloroethyl 4-bromo-3-hydroxy-2,7-dimethoxy-phenothiazine-10-carboxylate CAS Name: 4-bromo-3-hydroxy-2,7-dimethoxy-10-phenothiazinecarboxylic acid 1-chloroethyl ester IUPAC Name: 1-chloroethyl 4-bromo-3-hydroxy-2,7-dimethoxyphenothiazine-10-carboxylate Traditional Name: 4-bromo-3-hydroxy-2,7-dimethoxy-phenothiazine-10-carboxylic acid 1-chloroethyl ester Formula: C17H15BrClNO5S MolecularWeight: 460.7267

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)N1C2=C(C=C(C=C2)OC)SC3=C(C(=C(C=C31)OC)O)Br)Cl

Isomeric SMILES

CC(OC(=O)N1C2=C(C=C(C=C2)OC)SC3=C(C(=C(C=C31)OC)O)Br)Cl

InChI

InChI=1S/C17H15BrClNO5S/c1-8(19)25-17(22)20-10-5-4-9(23-2)6-13(10)26-16-11(20)7-12(24-3)15(21)14(16)18/h4-8,21H,1-3H3